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Computational_Chemistry:
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['1 . XlogP 15 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 394 ', '6 . Heavy Atom Count 10 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 122 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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Flash_Point:
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70.0±0.0 °C
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More_Info:
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['1 . Appearance White 叶状结晶，受热to . Melting point以上为浅Yellow Liquid 。 ', '2 . Density（g/mL,208/4ºC）11174 ', '3 . Refractive index（208ºC）14797 ', '4 . Flash point（ºC）70 ', '5 . Melting point（ºC）34 ', '6 . Boiling point（ºC,1013kPa ）195 ', '7 . Solubility Soluble in Ethanol ，Insoluble in Water 。遇Water 易分解。']
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PSA:
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39.44000
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Vapor_Pressure:
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0.4±0.3 mmHg at 25°C
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Density:
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1.1±0.1 g/cm3
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Refractive_Index:
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1.464
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FW:
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140.137
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LogP:
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1.52
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Bolling_Point:
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196.8±0.0 °C at 760 mmHg
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Exact_Mass:
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140.047348
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MF:
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C7H8O3
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Melting_Point:
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32-36ºC
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Molecular_Structure:
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['1 . Molar refractive index 3495 ', '2 . Molar volume 1266 ', '3 . Parachor （902K）3058 ', '4 . Surface tension 340 ', '5 . Polarizability 1385']
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